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1-Hydroxy-2-pentyl-4-oxo-5,6-(2'-methylbenzo)-8,9-(2",2"-dimethyl-4H-benzo[d]dioxin)-3,7-dioxacycloundec-10-ene
SpectraBase Compound ID 4hjc0BEvH9P
InChI InChI=1S/C27H32O6/c1-5-6-7-10-23-20(28)13-12-18-19-16-30-27(3,4)33-22(19)15-14-21(18)31-24-11-8-9-17(2)25(24)26(29)32-23/h8-9,11-15,20,23,28H,5-7,10,16H2,1-4H3/b13-12+/t20-,23+/m1/s1
InChIKey JJZFSTRPQMTVQF-GPZLUXPBSA-N
Mol Weight 452.5 g/mol
Molecular Formula C27H32O6
Exact Mass 452.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cn2Ou9AVoVm
Name 1-Hydroxy-2-pentyl-4-oxo-5,6-(2'-methylbenzo)-8,9-(2",2"-dimethyl-4H-benzo[d]dioxin)-3,7-dioxacycloundec-10-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O6
InChI InChI=1S/C27H32O6/c1-5-6-7-10-23-20(28)13-12-18-19-16-30-27(3,4)33-22(19)15-14-21(18)31-24-11-8-9-17(2)25(24)26(29)32-23/h8-9,11-15,20,23,28H,5-7,10,16H2,1-4H3/b13-12+/t20-,23+/m1/s1
InChIKey JJZFSTRPQMTVQF-GPZLUXPBSA-N
Molecular Weight 452.547 g/mol
SMILES O[C@@]1(\C=C\c2c3c(OC(OC3)(C)C)ccc2Oc2c(C(O[C@]1(CCCCC)[H])=O)c(ccc2)C)[H]
SPLASH splash10-02tc-0391000000-2b94d3953412d1e15540
Source of Spectrum QE-15-5965-44
Wiley ID 1692939